D035-0001 Screening compound: 7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D035-0001 Screening compound: 7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D035-0001 Screening compound: 7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D035-0001
7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D035-0001

Molecular Formula

C11H8N4OS2 (C11 H8 N4 OS2)

Compound Name

7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

7-(methylsulfanyl)-3-phenyl-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CSC(SC1=NN=C2c3ccccc3)=NN1C2=O

InChI

InChI=1S/C11H8N4OS2/c1-17-11-14-15-9(16)8(12-13-10(15)18-11)7-5-3-2-4-6-7/h2-6H,1H3

InChI Key

BAQSTHYZHJTXBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05962365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-3.23

Polar Surface Area

48.516

Acid Dissociation Constant (pKa)

38.14

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D035-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D035-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D035-0001?
Check Price and Availability of D035-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D035-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D035-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D035-0001
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D035-0001 available by request